SCHEMBL5227527

SCHEMBL5227527

O=C(N[C@@H](CSc1ccccc1)C(=O)CCl)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.58
CASP1 P29466 6/20 0.57
PPARA Q07869 3/20 0.49
PPARG P37231 1/20 0.48
MMP13 P45452 2/20 0.47
CTSK P43235 3/20 0.47
TACR1 P25103 2/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTRB1 P17538 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7495766 1.00 CA2 (0.58) CA2CASP1PPARAPPARGMMP13
SCHEMBL7495758 1.00 CA2 (0.58) CA2CASP1PPARAPPARGMMP13
SCHEMBL5228626 0.98 CA2 (0.56) CA2CASP1PPARAPPARGMMP13
SCHEMBL5230909 0.89 CASP1 (0.52) CA2CASP1PPARAPPARGMMP13
SCHEMBL6487973 0.87 CASP1 (0.62) CA2CASP1PPARAPPARGMMP13
SCHEMBL1541597 0.87 CASP1 (0.62) CA2CASP1PPARAPPARGMMP13
SCHEMBL4973400 0.87 CASP1 (0.62) CA2CASP1PPARAPPARGMMP13
SCHEMBL7492863 0.86 MTNR1A (0.45) CA2CASP1
SCHEMBL7493194 0.86 MTNR1A (0.45) CA2CASP1
SCHEMBL7492869 0.86 MTNR1A (0.45) CA2CASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP claimed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US claimed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP claimed
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
US-RE38796-E1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO CO.,INC. (JP) 2005-09-13 US disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
EP-0972760-B1 PROCESS FOR THE PURIFICATION OR ISOLATION OF (2S, 3R)-1-HALO-2-HYDROXY-3-(PROTECTED AMINO)-4-PHENYLTHIOBUTANES OR OPTICAL ANTIPODES THEREOF KANEKA CORP (JP) 2004-09-22 EP disclosed
US-6693199-B2 DEPROTECTING CARBAMATE GROUP AND AMIDATING IN PRESENCE OF SUCH AS HYDROXYBENZOTRIAZOLE HYDRATE PROMOTER AGOURON PHARMACEUTICALS, INC. 2004-02-17 US disclosed
US-20030216569-A1 Method of making HIV protease inhibitors DRESSMAN BRUCE A (US) 2003-11-20 US disclosed
US-6525215-B2 As antiviral agents suitable for therapy of patients or hosts infected with the HIV virus, which is known to cause AIDS AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP disclosed
EP-0763017-A1 N-(3-AMINO-2-HYDROXYBUTYL)SULPHONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1997-03-19 EP disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
US-5527829-A VIRICIDES; TREATING AIDS AGOURON PHARMACEUTICALS, INC. (US) 1996-06-18 US disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
WO-1995032185-A1 N-(3-AMINO-2-HYDROXYBUTYL)SULPHONAMIDE DERIVATIVES AS HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-11-30 WO disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP CA2 3472/4885CASP1 80/4885PPARA 4822/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.